2-(2-Aminoethoxy)-1-ethoxyethanol

C6H15NO3 — CID 21961120

IUPAC2-(2-aminoethoxy)-1-ethoxyethanol
SMILESCCOC(COCCN)O
InChIInChI=1S/C6H15NO3/c1-2-10-6(8)5-9-4-3-7/h6,8H,2-5,7H2,1H3
InChIKeyCTBFHRJHMBJFCJ-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.20
Rot. Bonds6

About 2-(2-Aminoethoxy)-1-ethoxyethanol

2-(2-Aminoethoxy)-1-ethoxyethanol (PubChem CID 21961120) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-ethoxyethanol.

Molecular Properties

Compound Name2-(2-Aminoethoxy)-1-ethoxyethanol
PubChem CID21961120
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name2-(2-aminoethoxy)-1-ethoxyethanol
SMILESCCOC(COCCN)O
InChIInChI=1S/C6H15NO3/c1-2-10-6(8)5-9-4-3-7/h6,8H,2-5,7H2,1H3
InChIKeyCTBFHRJHMBJFCJ-UHFFFAOYSA-N
XLogP-1.20
TPSA64.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity70

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2-Aminoethoxy)-1-ethoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aminoethoxyethoxyethanol
CID 17784023
Ethoxyethanolamin
CID 21114145
Aminoethoxyethanol
CID 21989213
(1R)-2-amino-1-(2-hydroxyethoxy)ethanol
CID 134693752
2-Hydroxyethanolamine acetate
CID 154584484
2-Amino-1-propan-2-yloxyethanol
CID 19069525
2-Amino-1-(2-hydroxyethoxy)ethanol;ethoxyethane
CID 20186286
2-Amino-1-(2-hydroxyethoxy)ethanol
CID 20186287
2-(1-Aminoethoxy)ethane-1,1,2-triol
CID 20199944
1-(1-Aminoethoxy)ethane-1,2-diol
CID 20380711
1-[2-(3-Aminopropoxy)ethoxy]ethanol
CID 21114766
2-Amino-1-(2-aminoethoxy)ethanol
CID 22372816

Frequently Asked Questions

What is the IUPAC name of 2-(2-Aminoethoxy)-1-ethoxyethanol?
The IUPAC name of 2-(2-Aminoethoxy)-1-ethoxyethanol (CID 21961120) is 2-(2-aminoethoxy)-1-ethoxyethanol.
What is the SMILES notation for 2-(2-Aminoethoxy)-1-ethoxyethanol?
The canonical SMILES for 2-(2-Aminoethoxy)-1-ethoxyethanol is CCOC(COCCN)O.
What is the InChIKey of 2-(2-Aminoethoxy)-1-ethoxyethanol?
The InChIKey is CTBFHRJHMBJFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-2-10-6(8)5-9-4-3-7/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-(2-Aminoethoxy)-1-ethoxyethanol?
2-(2-Aminoethoxy)-1-ethoxyethanol has a molecular weight of 149.19 g/mol, XLogP of -1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Aminoethoxy)-1-ethoxyethanol is sourced from PubChem (CID 21961120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).